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SCF, IEPA, PNOCI, AND CEPA2-PNO ANALYSIS OF THE ANISOTROPY OF (H-2)2 INTERACTION NEAR THE MINIMUM IN THE VANDERWAALS INTERACTION
被引:17
作者
:
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1983年
/ 79卷
/ 01期
关键词
:
D O I
:
10.1063/1.445508
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:526 / 527
页数:2
相关论文
共 10 条
[1]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
: 1225
-
1234
[2]
STATE RESOLVED ROTATIONAL-EXCITATION IN HD+D2 COLLISIONS .2. ANGULAR-DEPENDENCE OF 0-]2 TRANSITIONS
BUCK, U
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
BUCK, U
HUISKEN, F
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
HUISKEN, F
MANEKE, G
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MANEKE, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4430
-
4438
[3]
BASIS SET REFINEMENT IN THEORETICAL MODELING OF MOLECULAR ELECTRONIC-STRUCTURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
GRAY, PD
论文数:
0
引用数:
0
h-index:
0
GRAY, PD
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
[J].
MOLECULAR PHYSICS,
1982,
47
(04)
: 785
-
809
[4]
THE (H-2)2 POTENTIAL SURFACE AND THE INTERACTION BETWEEN HYDROGEN MOLECULES AT LOW-TEMPERATURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(12)
: 6073
-
6087
[5]
ROUTES TO FULL CI THROUGH EXTRAPOLATION IN MULTIREFERENCE CONFIGURATION CALCULATIONS FOR ELECTRONIC-STRUCTURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BURTON, PG
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1983,
23
(02)
: 613
-
623
[6]
BURTON PG, UNPUB
[7]
HARRISON RG, UNPUB
[8]
INTERMOLECULAR FORCES FOR D2, N2, O2, F2 AND CO2
KOIDE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
KOIDE, A
KIHARA, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
KIHARA, T
[J].
CHEMICAL PHYSICS,
1974,
5
(01)
: 34
-
48
[9]
THEORETICAL STUDIES OF H-2-H-2 COLLISIONS .1. ELASTIC-SCATTERING OF GROUND-STATE PARA-H-2 AND ORTHO-H-2 IN THE RIGID ROTOR APPROXIMATION
SCHAEFER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
SCHAEFER, J
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(01)
: 344
-
360
[10]
SCHAEFER J, 1980, COMMUNICATION
←
1
→
共 10 条
[1]
PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
AHLRICHS, R
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
LISCHKA, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
STAEMMLER, V
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM, KARLSRUHE, FED REP GER
KUTZELNIGG, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(04)
: 1225
-
1234
[2]
STATE RESOLVED ROTATIONAL-EXCITATION IN HD+D2 COLLISIONS .2. ANGULAR-DEPENDENCE OF 0-]2 TRANSITIONS
BUCK, U
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
BUCK, U
HUISKEN, F
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
HUISKEN, F
MANEKE, G
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MAX PLANCK INST PHYS & ASTROPHYS,D-8046 GARCHING,FED REP GER
MANEKE, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4430
-
4438
[3]
BASIS SET REFINEMENT IN THEORETICAL MODELING OF MOLECULAR ELECTRONIC-STRUCTURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
GRAY, PD
论文数:
0
引用数:
0
h-index:
0
GRAY, PD
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
[J].
MOLECULAR PHYSICS,
1982,
47
(04)
: 785
-
809
[4]
THE (H-2)2 POTENTIAL SURFACE AND THE INTERACTION BETWEEN HYDROGEN MOLECULES AT LOW-TEMPERATURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
BURTON, PG
SENFF, UE
论文数:
0
引用数:
0
h-index:
0
SENFF, UE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(12)
: 6073
-
6087
[5]
ROUTES TO FULL CI THROUGH EXTRAPOLATION IN MULTIREFERENCE CONFIGURATION CALCULATIONS FOR ELECTRONIC-STRUCTURES
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, FED REP GER
BURTON, PG
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1983,
23
(02)
: 613
-
623
[6]
BURTON PG, UNPUB
[7]
HARRISON RG, UNPUB
[8]
INTERMOLECULAR FORCES FOR D2, N2, O2, F2 AND CO2
KOIDE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
KOIDE, A
KIHARA, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
UNIV TOKYO,FAC SCI,DEPT PHYS,TOKYO,JAPAN
KIHARA, T
[J].
CHEMICAL PHYSICS,
1974,
5
(01)
: 34
-
48
[9]
THEORETICAL STUDIES OF H-2-H-2 COLLISIONS .1. ELASTIC-SCATTERING OF GROUND-STATE PARA-H-2 AND ORTHO-H-2 IN THE RIGID ROTOR APPROXIMATION
SCHAEFER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
SCHAEFER, J
MEYER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
UNIV KAISERSLAUTERN, FACHBEREICH CHEM, D-6750 KAISERSLAUTERN, FED REP GER
MEYER, W
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(01)
: 344
-
360
[10]
SCHAEFER J, 1980, COMMUNICATION
←
1
→